{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc" } "basis-atom-coordinates" { "source-value" [ [ 0.156907 0.332941 0.610453 ] [ 0.156907 0.667059 0.110453 ] [ 0.721567 0.835033 0.102991 ] [ 0.721567 0.164967 0.602991 ] [ 0.656907 0.832941 0.610453 ] [ 0.656907 0.167059 0.110453 ] [ 0.221567 0.335033 0.102991 ] [ 0.221567 0.664967 0.602991 ] [ 0.095226 0.950058 0.432098 ] [ 0.095226 0.049942 0.932098 ] [ 0.272385 0.952391 0.289586 ] [ 0.272385 0.047609 0.789586 ] [ 0.595226 0.450058 0.432098 ] [ 0.595226 0.549942 0.932098 ] [ 0.772385 0.452391 0.289586 ] [ 0.772385 0.547609 0.789586 ] [ 0.129346 0.897754 0.055853 ] [ 0.129346 0.102246 0.555853 ] [ 0.97533 0.796471 0.394183 ] [ 0.97533 0.203529 0.894183 ] [ 0.233434 0.104847 0.167199 ] [ 0.233434 0.895153 0.667199 ] [ 0.902159 0.301388 0.3175 ] [ 0.902159 0.698612 0.8175 ] [ 0.86233 0.012167 0.291817 ] [ 0.86233 0.987833 0.791817 ] [ 0.995516 0.514753 0.44472 ] [ 0.995516 0.485247 0.94472 ] [ 0.629346 0.397754 0.055853 ] [ 0.629346 0.602246 0.555853 ] [ 0.47533 0.296471 0.394183 ] [ 0.47533 0.703529 0.894183 ] [ 0.733434 0.604847 0.167199 ] [ 0.733434 0.395153 0.667199 ] [ 0.402159 0.801388 0.3175 ] [ 0.402159 0.198612 0.8175 ] [ 0.36233 0.512167 0.291817 ] [ 0.36233 0.487833 0.791817 ] [ 0.495516 0.014753 0.44472 ] [ 0.495516 0.985247 0.94472 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Tc" "Tc" "Tc" "Tc" "Tc" "Tc" "Tc" "Tc" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.55947111296 "source-unit" "angstrom" } "b" { "source-value" 14.2736893674 "source-unit" "angstrom" } "c" { "source-value" 9.02969136973 "source-unit" "angstrom" } "beta" { "source-value" 96.7568980818 "source-unit" "degree" } }